SCHEMBL879653

SCHEMBL879653

O=C1NC(c2cccc(O)c2)=NC12CCN(S(=O)(=O)CCc1ccccc1C(F)(F)F)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 10/20 0.44
TACR1 P25103 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A9 P48067 2/20 0.36
OPRM1 P35372 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16358680 0.88 PTH1R (0.50) PTH1RTACR1KDM4EALDH1A1SLC6A9
SCHEMBL849439 0.87 PTH1R (0.53) PTH1RTACR1KDM4EALDH1A1SLC6A9
SCHEMBL849019 0.80 TACR1 (0.57) PTH1RTACR1KDM4E
SCHEMBL16302187 0.78 PTH1R (0.46) PTH1RTACR1
SCHEMBL879649 0.78 PTH1R (0.47) PTH1RSLC6A9
SCHEMBL848263 0.77 PTH1R (0.58) PTH1RTACR1KDM4EALDH1A1SLC6A9
SCHEMBL16302228 0.75 PTH1R (0.41) PTH1RALDH1A1
SCHEMBL13552118 0.74 PTH1R (0.47) PTH1RTACR1
SCHEMBL17346272 0.74 PTH1R (0.55) PTH1R
SCHEMBL16302225 0.74 PTH1R (0.42) PTH1RSLC6A9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed